Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_k4dc1c6kdi6ks13n0ne920r3c6, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(3,5-dimethylphenoxy)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[2-(3,5-dimethylphenoxy)ethyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 7.56 -14.67 0 5 0 43 286.379 4 ↓
Lo Low (pH 4.5-6) 1.82 9.85 -54.16 1 5 1 44 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[2-(4-tert-butylphenoxy)ethyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 8.54 -14.02 0 5 0 43 314.433 5 ↓
Lo Low (pH 4.5-6) 2.70 10.84 -53.76 1 5 1 44 315.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-7-[2-(4-methylphenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-[2-(4-methylphenoxy)e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 6.9 -14.4 0 5 0 43 272.352 4 ↓
Lo Low (pH 4.5-6) 1.45 9.2 -54.02 1 5 1 44 273.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-7-(2-phenoxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-(2-phenoxyethyl)-6,8-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 6.22 -14.44 0 5 0 43 258.325 4 ↓
Lo Low (pH 4.5-6) 1.00 8.51 -54.13 1 5 1 44 259.333 4 ↓

Parameters Provided:

ring.id = 364759
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 364759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=364759&filter.purchasability=annotated

Embed Link to Results